In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (1S)-2-methyl-N-[(1S)-1-(1-propyl-4-piperidyl)ethyl]-1-(2-thienyl)propan-1-amine (1S)-2-methyl-N-[(1S)-1-(1-propy…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.71 | 10.81 | -94.58 | 3 | 2 | 2 | 21 | 310.551 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.71 | 10.03 | -34.4 | 2 | 2 | 1 | 16 | 309.543 | 7 | ↓ |